6533b871fe1ef96bd12d25a0
RESEARCH PRODUCT
Stochastic dynamics simulation of grafted polymer brushes under shear deformation
Kurt BinderO. V. BorisovIgor M. Neelovsubject
chemistry.chemical_classificationQuantitative Biology::BiomoleculesPolymers and PlasticsOrganic ChemistryBrushPolymerCondensed Matter Physicslaw.inventionCondensed Matter::Soft Condensed MatterInorganic ChemistryShear ratechemistry.chemical_compoundMonomerStochastic dynamicsPlanarchemistrylawPolymer chemistryMaterials ChemistryComposite materialdescription
We present results of computer simulations of polymer brushes (layers of polymer chains attached at one end onto an impermeable planar surface) under shear deformation at constant shear rate. As the first stage of calculations the behavior of a single brush was studied. The monomer density profile, the distribution of the chain ends, the positions and orientations of different monomers along the chain were calculated. Dimensions of the polymer chains as functions of the shear rate were obtained for different grafting densities. An increase in the brush thickness over the grafting plane with an increase in the shear rate as predicted by the theory of Barrat was observed. However, the magnitude of the effect appears to be small. We explain this by finite extensibility of the grafted chains.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1998-01-01 |